3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole

Systemtic Name: 3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole Openeye Name: 3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(2-thienyl)isoxazole CAS Name: 3-[[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-thiophen-2-ylisoxazole IUPAC Name: 3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole Traditional Name: 3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(2-thienyl)isoxazole Formula: C18H19FN3O3S2+ MolecularWeight: 408.490163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CS3)S(=O)(=O)C4=CC=CC(=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CS3)S(=O)(=O)C4=CC=CC(=C4)F

InChI

InChI=1S/C18H18FN3O3S2/c19-14-3-1-4-16(11-14)27(23,24)22-8-6-21(7-9-22)13-15-12-17(25-20-15)18-5-2-10-26-18/h1-5,10-12H,6-9,13H2/p+1